Molecule ID: mol18778
SMILES: Cc1cnc(NCC2(c3ccc(F)cc3)CC2)c(=O)n1CC(=O)NCc1ccc2[nH]nc(N)c2c1
InChI: InChI=1S/C25H26FN7O2/c1-15-11-29-23(30-14-25(8-9-25)17-3-5-18(26)6-4-17)24(35)33(15)13-21(34)28-12-16-2-7-20-19(10-16)22(27)32-31-20/h2-7,10-11H,8-9,12-14H2,1H3,(H,28,34)(H,29,30)(H3,27,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | OCHEM | 2 » 1 |
| 3.60 | Baltruschat ChEMBL | 2 » 1 |